1-(2-ethoxyphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-(2-ethoxyphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-ethoxyphenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-ethoxyphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-ethoxyphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-ethylpropyl)-1-o-phenetyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H29N3O MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=CC=C3OCC

Isomeric SMILES

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=CC=C3OCC

InChI

InChI=1S/C20H29N3O/c1-4-15(5-2)19-16-11-9-10-14-21-20(16)23(22-19)17-12-7-8-13-18(17)24-6-3/h7-8,12-13,15,22H,4-6,9-11,14H2,1-3H3